Molecule
ID:96643
General Information
Molecular Formula
C₁₆H₁₀ClF₃N₂O₂
Molecular Mass
354.7110096
Exact Mass
354.03828991
Charge
0
InChI
InChI=1S/C16H10ClF3N2O2/c1-8-5-11-12(13(17)21-8)15(24)22(14(11)23)7-9-3-2-4-10(6-9)16(18,19)20/h2-6H,7H2,1H3
InChIKey
LOJPEPCJNIVCKK-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(Cl)c2c(c1)C(=O)N(C2=O)Cc1cccc(c1)C(F)(F)F
Isomeric Smiles
N1(C(=O)c2c(cc(nc2Cl)C)C1=O)Cc1cccc(c1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2573402
LogD (pH = 7.4)
3.2573402
Log P
3.2573402
Molar Refractivity
83.0985
Polarizability
29.681229
Polar Surface Area
50.27
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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